N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide

C13H11FN2O3S — CID 27006547

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccoc1
InChIInChI=1S/C13H11FN2O3S/c14-10-3-1-2-4-11(10)20-8-12(17)15-16-13(18)9-5-6-19-7-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyQKJJACXAWMMEHT-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.97
Rot. Bonds4

About N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide (PubChem CID 27006547) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
PubChem CID27006547
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1ccoc1
InChIInChI=1S/C13H11FN2O3S/c14-10-3-1-2-4-11(10)20-8-12(17)15-16-13(18)9-5-6-19-7-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyQKJJACXAWMMEHT-UHFFFAOYSA-N
XLogP1.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
CID 7969929
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
CID 7969966
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9157257
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide (CID 27006547) is N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1ccoc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide?
The InChIKey is QKJJACXAWMMEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-10-3-1-2-4-11(10)20-8-12(17)15-16-13(18)9-5-6-19-7-9/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide is sourced from PubChem (CID 27006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).